TbHo2(TmSc)2
Alexandria ALEXAlex-ID: agm016012292 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D2_13_spg12
Tb2Ho7 TbHo8 Tb2HoSc5 HoTm5
2025-06-27 08:53:56
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm016012292).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
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# CIF generated by HEAS from Alexandria entry agm016012292
data_agm016012292
_cell_length_a 8.22612
_cell_length_b 8.22612
_cell_length_c 8.41552
_cell_angle_alpha 61.68156
_cell_angle_beta 118.31844
_cell_angle_gamma 155.87856
_cell_volume 203.51260
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Tb1 Tb 0.00000 0.00000 0.50000 1.00000
Ho1 Ho 0.70456 0.29544 0.79557 1.00000
Ho2 Ho 0.29544 0.70456 0.20443 1.00000
Tm1 Tm 0.63706 0.36294 0.32411 1.00000
Tm2 Tm 0.36294 0.63706 0.67589 1.00000
Sc1 Sc 0.06968 0.93032 0.93341 1.00000
Sc2 Sc 0.93032 0.06968 0.06659 1.00000
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